1-cyclohexyl-5-N-methyl-4-oxo-3-N-[(1S)-1-thiophen-2-ylethyl]pyridine-3,5-dicarboxamide

C20H25N3O3S — CID 25292980

IUPAC1-cyclohexyl-5-N-methyl-4-oxo-3-N-[(1S)-1-thiophen-2-ylethyl]pyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cn(C2CCCCC2)cc(C(=O)N[C@@H](C)c2cccs2)c1=O
InChIInChI=1S/C20H25N3O3S/c1-13(17-9-6-10-27-17)22-20(26)16-12-23(14-7-4-3-5-8-14)11-15(18(16)24)19(25)21-2/h6,9-14H,3-5,7-8H2,1-2H3,(H,21,25)(H,22,26)/t13-/m0/s1
InChIKeyVYABMVXVFXYKAG-ZDUSSCGKSA-N
MW387.51 g/mol
LogP3.27
Rot. Bonds5

About 1-cyclohexyl-5-N-methyl-4-oxo-3-N-[(1S)-1-thiophen-2-ylethyl]pyridine-3,5-dicarboxamide

1-cyclohexyl-5-N-methyl-4-oxo-3-N-[(1S)-1-thiophen-2-ylethyl]pyridine-3,5-dicarboxamide (PubChem CID 25292980) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 1-cyclohexyl-5-N-methyl-4-oxo-3-N-[(1S)-1-thiophen-2-ylethyl]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name1-cyclohexyl-5-N-methyl-4-oxo-3-N-[(1S)-1-thiophen-2-ylethyl]pyridine-3,5-dicarboxamide
PubChem CID25292980
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name1-cyclohexyl-5-N-methyl-4-oxo-3-N-[(1S)-1-thiophen-2-ylethyl]pyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cn(C2CCCCC2)cc(C(=O)N[C@@H](C)c2cccs2)c1=O
InChIInChI=1S/C20H25N3O3S/c1-13(17-9-6-10-27-17)22-20(26)16-12-23(14-7-4-3-5-8-14)11-15(18(16)24)19(25)21-2/h6,9-14H,3-5,7-8H2,1-2H3,(H,21,25)(H,22,26)/t13-/m0/s1
InChIKeyVYABMVXVFXYKAG-ZDUSSCGKSA-N
XLogP3.27
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-methyl-1-(3-methylbutyl)-4-oxo-3-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3,5-dicarboxamide
CID 26317818
3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxo-5-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 25291228
1-cyclohexyl-3-N-(1,2-diphenylethyl)-5-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 45195813
2-cyclohexyl-2-(1-thiophen-2-ylethylcarbamoylamino)acetic acid
CID 61199438
1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)-N-[(2R)-1-thiophen-3-ylpropan-2-yl]pyridine-3-carboxamide
CID 26322269
2-chloro-N-(1-thiophen-2-ylethyl)benzamide
CID 42907549
1-cyclohexyl-3-N-(1-methoxypropan-2-yl)-5-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 45231742
5-N-cycloheptyl-1-cyclopropyl-4-oxo-3-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3,5-dicarboxamide
CID 45203643
2-amino-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 81407916
5-N-benzyl-1-cyclopropyl-3-N-[(1S)-1-naphthalen-1-ylethyl]-4-oxopyridine-3,5-dicarboxamide
CID 26399691
N-(1-thiophen-2-ylethyl)azepane-2-carboxamide
CID 64563977
1-cyclohexyl-4-oxo-N-[(R)-phenyl(pyridin-4-yl)methyl]-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 26277522

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-N-methyl-4-oxo-3-N-[(1S)-1-thiophen-2-ylethyl]pyridine-3,5-dicarboxamide?
The IUPAC name of 1-cyclohexyl-5-N-methyl-4-oxo-3-N-[(1S)-1-thiophen-2-ylethyl]pyridine-3,5-dicarboxamide (CID 25292980) is 1-cyclohexyl-5-N-methyl-4-oxo-3-N-[(1S)-1-thiophen-2-ylethyl]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 1-cyclohexyl-5-N-methyl-4-oxo-3-N-[(1S)-1-thiophen-2-ylethyl]pyridine-3,5-dicarboxamide?
The canonical SMILES for 1-cyclohexyl-5-N-methyl-4-oxo-3-N-[(1S)-1-thiophen-2-ylethyl]pyridine-3,5-dicarboxamide is CNC(=O)c1cn(C2CCCCC2)cc(C(=O)N[C@@H](C)c2cccs2)c1=O.
What is the InChIKey of 1-cyclohexyl-5-N-methyl-4-oxo-3-N-[(1S)-1-thiophen-2-ylethyl]pyridine-3,5-dicarboxamide?
The InChIKey is VYABMVXVFXYKAG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-13(17-9-6-10-27-17)22-20(26)16-12-23(14-7-4-3-5-8-14)11-15(18(16)24)19(25)21-2/h6,9-14H,3-5,7-8H2,1-2H3,(H,21,25)(H,22,26)/t13-/m0/s1.
What are the key properties of 1-cyclohexyl-5-N-methyl-4-oxo-3-N-[(1S)-1-thiophen-2-ylethyl]pyridine-3,5-dicarboxamide?
1-cyclohexyl-5-N-methyl-4-oxo-3-N-[(1S)-1-thiophen-2-ylethyl]pyridine-3,5-dicarboxamide has a molecular weight of 387.51 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-N-methyl-4-oxo-3-N-[(1S)-1-thiophen-2-ylethyl]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 25292980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).